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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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126911 50983902 1 O2N5C18H27 A2B5C18D27 -31.04 1.96 -8.95 -0.54 0
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126912 50984223 1 O2N5C17H21 A2B5C17D21 -23.04 8.15 -9.38 -0.17 0
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126913 50984236 1 SN3O3C14H19 AB3C3D14E19 -97.0 2.2 -9.24 -0.55 0
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126914 50984266 1 SN3C18H21 AB3C18D21 60.93 3.44 -8.84 -0.52 0
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126915 50984333 1 FO2N5C19H20 AB2C5D19E20 -45.59 4.71 -9.06 -0.51 0
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126916 50984443 1 FN3O4C19H22 AB3C4D19E22 -150.47 4.63 -9.59 -0.61 0
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126917 50984478 1 O2N5C19H21 A2B5C19D21 -12.16 2.33 -9.12 -0.8 0
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126918 50984479 1 NOF2C18H25 ABC2D18E25 -157.04 2.67 -9.2 -0.49 0
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126919 50984480 1 OSN7C17H23 ABC7D17E23 62.37 6.05 -8.96 -0.72 0
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126920 50984530 1 O2N3C17H23 A2B3C17D23 -50.01 3.77 -8.94 0.01 0
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126921 50984531 1 ON3C14H17 AB3C14D17 11.66 5.03 -8.62 0.48 0
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126922 50984532 1 O2N6C15H22 A2B6C15D22 2.21 1.1 -8.64 -0.52 0
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126923 50984533 1 ClO2N3C17H24 AB2C3D17E24 -90.23 5.24 -8.54 -0.43 0
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126924 50984534 1 ClON3H18C19 ABC3D18E19 27.14 3.33 -9.66 -1.16 0
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126925 50984535 2 ON2C11H13 AB2C11D13 -12.59 8.23 -8.79 -0.56 0
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126926 50984608 1 O3N6C16H20 A3B6C16D20 -43.56 7.53 -9.03 -0.16 0
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126927 50984609 1 N3O3C16H23 A3B3C16D23 -76.25 6.8 -8.66 0.36 0
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126928 50984624 1 ClO2N5C19H22 AB2C5D19E22 -49.28 6.7 -9.34 -0.76 0
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126929 50984661 1 O2N3C24H27 A2B3C24D27 -25.58 5.09 -8.86 -0.24 0
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126930 50984662 1 SO2N3C19H21 AB2C3D19E21 -6.48 3.94 -9.26 -0.79 0
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126931 50984663 1 ON4C16H16 AB4C16D16 67.31 8.18 -8.91 -1.37 0
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126932 50984664 2 ON2C10H11 AB2C10D11 -2.89 3.51 -9.41 0.08 0
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126933 50984665 1 ON5H13C15 AB5C13D15 57.13 1.58 -9.19 -0.88 0
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126934 50984666 1 O2N5C16H21 A2B5C16D21 3.82 6.0 -8.81 -0.41 0
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126935 50984667 1 N3O4C20H25 A3B4C20D25 -153.38 2.99 -8.88 0.18 0
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126936 50984668 1 ON5C20H27 AB5C20D27 -8.99 4.77 -8.93 -0.15 0
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126937 50984669 1 FON6C18H19 ABC6D18E19 24.18 4.67 -8.95 -0.75 0
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126938 50984670 1 ON3C17H25 AB3C17D25 -27.48 2.26 -8.9 -0.63 0
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126939 50984678 1 O2N4C21H24 A2B4C21D24 -26.19 5.6 -8.65 -0.56 0
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126940 50984679 1 OSN5C20H21 ABC5D20E21 52.32 6.85 -8.72 -0.45 0
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126941 50984680 1 NO2C21H25 AB2C21D25 -54.1 3.05 -9.03 -0.6 0
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126942 50984681 1 N3O4C17H23 A3B4C17D23 -143.07 6.24 -9.31 -1.29 0
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126943 50984732 1 O2N5C22H25 A2B5C22D25 -28.96 6.76 -8.7 -0.39 0
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126944 50984752 1 ClO2N4C18H21 AB2C4D18E21 -35.05 3.02 -9.13 -0.33 0
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126945 50984782 1 N2O3C20H24 A2B3C20D24 -110.27 2.52 -8.77 -0.02 0
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126946 50984810 1 O2N3H19C22 A2B3C19D22 34.83 3.88 -8.79 -0.6 0
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126947 50985045 1 O2N4C19H20 A2B4C19D20 -10.67 1.64 -8.79 -0.46 0
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126948 50985078 1 N3C12H23 A3B12C23 -1.87 2.63 -8.64 0.87 0
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126949 50985091 1 SO2N3C14H17 AB2C3D14E17 -55.74 5.17 -8.74 -0.96 0
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126950 50985227 1 SN3O3C17H27 AB3C3D17E27 -130.0 1.68 -8.84 0.11 0
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126951 50985228 1 N3C13H19 A3B13C19 58.69 6.83 -9.61 0.39 0
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126952 50985229 1 O2N3C19H19 A2B3C19D19 -19.38 9.57 -8.69 -0.65 0
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126953 50985230 1 ON3H19C21 AB3C19D21 70.23 4.74 -8.63 -0.52 0
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126954 50985231 1 O2N3C20H29 A2B3C20D29 -80.17 4.65 -8.87 -0.36 0
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126955 50985292 1 O2N3C23H25 A2B3C23D25 -10.31 8.32 -8.71 -0.11 0
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126956 50985293 1 N3O3C19H23 A3B3C19D23 -69.02 4.36 -8.86 -0.9 0
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126957 50985403 1 N3O3C18H23 A3B3C18D23 -115.5 4.39 -9.14 -0.46 0
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126958 50985450 2 NO2C11H12 AB2C11D12 -92.04 2.87 -8.62 -0.43 0
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126959 50985529 1 FN2O2C18H23 AB2C2D18E23 -138.22 5.68 -9.41 0.01 0
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126960 50985530 1 ON4H18C23 AB4C18D23 122.82 6.32 -8.64 -0.83 0
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126961 50985641 1 SN5C17H29 AB5C17D29 41.65 5.61 -8.69 0.04 0
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126962 50985685 1 BrClN3O4H21C24 ABC3D4E21F24 -103.33 3.92 -8.96 -0.65 0
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126963 50985791 1 NO2S2C20H27 AB2C2D20E27 -84.26 4.83 -8.74 0.08 0
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126964 50985802 1 NOS2C20H27 ABC2D20E27 -55.13 5.05 -8.57 -0.14 0
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126965 50985818 1 ON4H20C24 AB4C20D24 110.39 3.12 -8.29 -0.22 0
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126966 50985865 4 NOC6H7 ABC6D7 -110.57 4.81 -9.34 -0.44 0
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126967 50985866 1 O3N4C27H28 A3B4C27D28 -54.82 9.55 -9.07 -0.66 0
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126968 50985867 1 O3N4C23H26 A3B4C23D26 -77.93 7.84 -9.41 -0.52 0
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126969 50985871 1 SN3O6C26H33 AB3C6D26E33 -215.45 4.45 -8.96 -0.28 0
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126970 50985872 1 ClN3O4C25H28 AB3C4D25E28 -138.11 5.59 -8.87 -0.67 -4
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126971 50986093 1 SP3N7O19C48H74 AB3C7D19E48F74 -962.3 1.35 -9.46 -1.33 0
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126972 50986175 1 O7H16C19 A7B16C19 -234.34 1.66 -9.81 -1.91 -4
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126973 50986176 1 SP3N7O17C28H40 AB3C7D17E28F40 -741.21 19.34 -9.03 -1.99 0
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126974 50986294 1 NOS2H9C10 ABC2D9E10 13.23 4.55 -9.05 -1.1 0
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126975 50986416 2 NOC5H9 ABC5D9 -76.58 2.79 -9.54 0.88 0
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126976 50986417 1 NF3O3C12H18 AB3C3D12E18 -313.95 2.99 -9.89 0.64 0
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126977 50986418 1 N2O2C11H20 A2B2C11D20 -99.67 3.36 -9.05 0.92 0
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126978 50986481 1 N3O3C16H29 A3B3C16D29 -178.51 2.88 -8.87 0.71 0
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126979 50986499 1 N3O3C13H25 A3B3C13D25 -174.58 3.84 -9.54 0.79 0
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126980 50986500 1 N3O3C12H23 A3B3C12D23 -161.7 4.74 -9.24 0.76 0
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126981 50986501 1 NF3O4C11H18 AB3C4D11E18 -380.09 6.08 -10.31 0.21 0
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126982 50986507 1 NOF2C10H13 ABC2D10E13 -139.02 4.17 -9.28 -0.06 0
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126983 50986560 1 O5C41H68 A5B41C68 -175.37 3.83 -8.78 -0.76 0
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126984 50986561 1 OC27H46 AB27C46 -127.2 2.42 -9.15 1.41 0
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126985 50986565 2 ClOC17H24 ABC17D24 -149.21 3.43 -9.3 -1.06 0